2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-N-butyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-N-butyl-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-N-butyl-3H-benzimidazole-5-sulfonamide CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]-N-butyl-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-butyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)thio]-N-butyl-3H-benzimidazole-5-sulfonamide Formula: C18H19BrFN3O2S2 MolecularWeight: 472.394763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H19BrFN3O2S2/c1-2-3-8-21-27(24,25)14-6-7-16-17(10-14)23-18(22-16)26-11-12-4-5-13(19)9-15(12)20/h4-7,9-10,21H,2-3,8,11H2,1H3,(H,22,23)